1-Naphthalenesulfonic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-, chromium complex

83732-90-5

CAS Name

Chromate(2-), [4-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN¹]-3-(hydroxy-κO)-1-naphthalenesulfonato(3-)][4-(hydroxy-κO)-3-[2-(2-methyl-4H-pyrazolo[1,5-a]benzimidazol-3-yl-κN⁴)diazenyl-κN¹]benzenesulfonamidato(2-)]-, sodium (1:2)

Molecular Formula

C₃₆H₂₅CrN₁₀O₈S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C20H15N4O5S.C16H13N6O3S.Cr.2Na/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;1-9-15(16-18-11-4-2-3-5-13(11)22(16)21-9)20-19-12-8-10(26(17,24)25)6-7-14(12)23;;;/h2-11,25H,1H3,(H,27,28,29);2-8H,1H3,(H3-,17,18,19,20,21,23,24,25);;;/q2*-1;+3;2*+1/p-3

InChIKey

InChIKey=HMNQQSXSJOGKGY-UHFFFAOYSA-K

SMILES

CC=1C2=C3[N-]([Cr+3]456([N](C=7C([O-]4)=CC(S(=O)(=O)[O-])=C8C7C=CC=C8)=N[C-]9C(=O5)N(N=C9C)C%10=CC=CC=C%10)[N](C=%11C([O-]6)=CC=C(S(N)(=O)=O)C%11)=N2)C=%12C(N3N1)=CC=CC%12.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C=1C=C2[O-][Cr+3]345(O=C6[C-](N=[N]3C2=C7C=CC=CC71)C(=NN6C=8C=CC=CC8)C)[O-]C=9C=CC(=CC9[N]5=NC=%10C(=NN%11C=%12C=CC=CC%12[N-]4C%10%11)C)S(=O)(=O)N

Other Names for this Substance